| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | FREE ELECTRON LASER |
Source details _diffrn_source.type | SACLA BEAMLINE BL3 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SACLA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL3 |
Temperature [K] _diffrn.ambient_temp | 291 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2018-07-24 |
Detector _diffrn_detector.type | MPCCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.2471 |
| Software | |
Data reduction _software.classification | cctbx.xfel |
Data scaling _software.classification | cxi.merge |
Phasing _software.classification | PHASER |
Refinement _software.classification | PHENIX (1.19.2_4158) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 77.061 77.061 37.223 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.24710 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 30.740 | 1.540 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.510 | 1.510 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 10094940 | 25562 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.54 | - |
Completeness [%] _reflns.percent_possible_obs | 100.0 | - |
Multiplicity _reflns.pdbx_redundancy | 556.5 | - |
CC(1/2) _reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half | 0.999 | 0.893 |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 8CWB |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2022-05-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.7 - 1.510 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1357 / 0.1679 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1iee |